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Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in…

Machine Learning · Statistics 2022-09-28 Nicola De Cao , Thomas Kipf

Integrated Gradients (IG) is a commonly used feature attribution method for deep neural networks. While IG has many desirable properties, the method often produces spurious/noisy pixel attributions in regions that are not related to the…

Computer Vision and Pattern Recognition · Computer Science 2021-06-21 Andrei Kapishnikov , Subhashini Venugopalan , Besim Avci , Ben Wedin , Michael Terry , Tolga Bolukbasi

Robots' ability to follow language instructions and execute diverse 3D manipulation tasks is vital in robot learning. Traditional imitation learning-based methods perform well on seen tasks but struggle with novel, unseen ones due to…

Robotics · Computer Science 2025-03-18 Yangtao Chen , Zixuan Chen , Junhui Yin , Jing Huo , Pinzhuo Tian , Jieqi Shi , Yang Gao

We present GOFMM (geometry-oblivious FMM), a novel method that creates a hierarchical low-rank approximation, "compression," of an arbitrary dense symmetric positive definite (SPD) matrix. For many applications, GOFMM enables an approximate…

Numerical Analysis · Computer Science 2017-07-04 Chenhan D. Yu , James Levitt , Severin Reiz , George Biros

While many diffusion models perform well when controlling particular aspects such as style, character, and interaction, they struggle with fine-grained control due to dataset limitations and intricate model architecture design. This paper…

Computer Vision and Pattern Recognition · Computer Science 2026-01-29 Conghan Yue , Zhengwei Peng , Shiyan Du , Zhi Ji , Chuangjian Cai , Le Wan , Dongyu Zhang

Modern deep learning methods typically treat image sequences as large tensors of sequentially stacked frames. However, is this straightforward representation ideal given the current state-of-the-art (SoTA)? In this work, we address this…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Snehal Singh Tomar , Alexandros Graikos , Arjun Krishna , Dimitris Samaras , Klaus Mueller

The Fast Proximal Gradient Method (FPGM) and the Monotone FPGM (MFPGM) for minimization of nonsmooth convex functions are introduced and applied to tomographic image reconstruction. Convergence properties of the sequence of objective…

Optimization and Control · Mathematics 2020-08-25 Elias S. Helou , Marcelo V. W. Zibetti , Gabor T. Herman

Recent advancements in artificial intelligence (AI)-based design strategies for metamaterials have revolutionized the creation of customizable architectures spanning nano- to macro-scale dimensions, achieving unprecedented mechanical…

Applied Physics · Physics 2024-05-22 Namjung Kim , Dongseok Lee , Chanyoung Kim , Dosung Lee , Youngjoon Hong

Developing generative models to create or conditionally create symbolic music presents unique challenges due to the combination of limited data availability and the need for high precision in note pitch. To address these challenges, we…

Sound · Computer Science 2025-06-09 Tingyu Zhu , Haoyu Liu , Ziyu Wang , Zhimin Jiang , Zeyu Zheng

The most important aim in tool path generation methods is to increase the machining efficiency by minimizing the total length of tool paths while the error is kept under a prescribed tolerance. This can be achieved by determining the moving…

Computational Geometry · Computer Science 2014-02-06 Márta Szilvási-Nagy , Gyula Mátyási , Szilvia Béla

In the realm of Artificial Intelligence Generated Content (AIGC), flow-matching models have emerged as a powerhouse, achieving success due to their robust theoretical underpinnings and solid ability for large-scale generative modeling.…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Zemin Huang , Zhengyang Geng , Weijian Luo , Guo-jun Qi

The recent advancements in large-scale pre-training techniques have significantly enhanced the capabilities of vision foundation models, notably the Segment Anything Model (SAM), which can generate precise masks based on point and box…

Computer Vision and Pattern Recognition · Computer Science 2024-10-14 Anqi Zhang , Guangyu Gao , Jianbo Jiao , Chi Harold Liu , Yunchao Wei

Gaussian processes (GPs) are crucial in machine learning for quantifying uncertainty in predictions. However, their associated covariance matrices, defined by kernel functions, are typically dense and large-scale, posing significant…

Machine Learning · Computer Science 2025-04-02 Theresa Wagner , Tianshi Xu , Franziska Nestler , Yuanzhe Xi , Martin Stoll

Due to the irregular nature of connections in most graph datasets, partitioning graph analysis algorithms across multiple computational nodes that do not share a common memory inevitably leads to large amounts of interconnect traffic.…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-22 Nina Engelhardt , Hayden K. -H. So

Stochastic gradient descent (SGD) is a fundamental optimization algorithm widely used in modern machine learning. In this paper, we propose Factor-Augmented SGD (FSGD), a new optimization method that leverages latent factor representations…

Machine Learning · Statistics 2026-05-20 Shubo Li , Yuefeng Han , Xiufan Yu

Indoor navigation is a difficult task, as it generally comes with poor GPS access, forcing solutions to rely on other sources of information. While significant progress continues to be made in this area, deployment to production…

Computer Vision and Pattern Recognition · Computer Science 2025-08-18 Daniel Airinei , Elena Burceanu , Marius Leordeanu

We present the design and implementation details of a geometric multigrid method on adaptively refined meshes for massively parallel computations. The method uses local smoothing on the refined part of the mesh. Partitioning is achieved by…

Numerical Analysis · Computer Science 2021-08-04 Thomas C. Clevenger , Timo Heister , Guido Kanschat , Martin Kronbichler

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Mechanical design and manufacturing workflows conventionally begin with conceptual design, followed by the creation of a computer-aided design (CAD) model and fabrication through material-extrusion (MEX) printing. This process requires…

Machine Learning · Computer Science 2026-03-20 Ziyue Wang , Yayati Jadhav , Peter Pak , Amir Barati Farimani
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